Nb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalyst

dc.contributor.affiliationInstituto Universitario Mixto de Tecnología Química
dc.contributor.affiliationDepartamento de Química
dc.contributor.affiliationEscuela Técnica Superior de Ingeniería Industrial
dc.contributor.authorPavel, Octavianes_ES
dc.contributor.authorTirsoaga, Alinaes_ES
dc.contributor.authorCojocaru, Bogdanes_ES
dc.contributor.authorPopescu, Danaes_ES
dc.contributor.authorRamírez-Grau, Rubén
dc.contributor.authorPablo Enrique
dc.contributor.authorGarcía-Aznar, Pablo
dc.contributor.authorTian, Liang
dc.contributor.authorSastre Navarro, German Ignacio
dc.contributor.authorPrimo Arnau, Ana Maria
dc.contributor.authorParvulescu, Vasilees_ES
dc.contributor.authorGarcía Gómez, Hermenegildo
dc.contributor.funderEuropean Commissiones_ES
dc.contributor.funderGeneralitat Valencianaes_ES
dc.contributor.funderAgencia Estatal de Investigaciónes_ES
dc.contributor.funderMinisterio de Ciencia e Innovaciónes_ES
dc.contributor.funderMinisterio de Ciencia, Innovación y Universidadeses_ES
dc.date.accessioned2025-06-12T12:28:18Z
dc.date.available2025-06-12T12:28:18Z
dc.date.issued2025-04es_ES
dc.description.abstract[EN] Nb2C MXene, obtained from Nb2AlC by Al3+ etching and exfoliation, was characterized using XRD, HRTEM and AFM, with the data confirming the crystallinity of the sample and the 2D morphology of the sheets with an average layer thickness of 1.5 nm. Surface analysis using XPS revealed the presence of structural defects, and NH3- and CO2-TPD profiles confirmed the low density of acid and basic sites in the range of tens of mu mol gcatalyst-1 of weak and moderate strengths. The combination of acid and basic sites in close proximity on the solid surface was responsible for the remarkable catalytic activity of Nb2C MXene in promoting aldolic condensation with high turnover frequencies of up to 855 h-1, which was comparable to the values of benchmark catalysts, such as MgO or HZSM-5. Nb2C MXene also catalyzed the aerobic oxidative aniline coupling to azo- and azoxy-benzene and hydrogenation of azoxybenzene to azobenzene.en_EN
dc.description.accrualMethodSes_ES
dc.description.bibliographicCitationPavel, O.; Tirsoaga, A.; Cojocaru, B.; Popescu, D.; Ramírez-Grau, Rubén; Pablo Enrique; García-Aznar, Pablo... (2025). Nb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalyst. EES Catalysis. https://doi.org/10.1039/d5ey00004aes_ES
dc.description.sponsorshipFinancial support from the Spanish Ministry of Science and Innovation (Severo Ochoa CEX2021-001230-S and PDI2018-89237-CO2-1, both funded by MCIN/AEI/10.13039/501100011033) and Generalitat Valenciana (Prometeo 2021-038 and Advanced Materials Programme Graphica MFA/2022/023 with funding from European Union NextGeneration EU PRTR-C17.I1) and European Commission through the ERC Adv. Grant 101141466 DISCOVERY are gratefully acknowledged. R. R.-G. thanks the Ministry of Science and Innovation for the postgraduate scholarship. P. E. G. D. thanks MCIN for the PhD grant PRE2022-103133/CEX2021-001230-S-20-2. P. G. A. thanks BASF for the scholarship. We thank SGAI-CSIC for providing computational facilities, and Preferred Computational Chemistry, Inc. (PFCC) for providing computational facilities and allocating calculation time. We also thank Yoshihiro Yayama, from PFCC, for insights into Matlantis use and fruitful discussions.es_ES
dc.identifier.doi10.1039/d5ey00004aes_ES
dc.identifier.eissn2753-801Xes_ES
dc.identifier.urihttps://riunet.upv.es/handle/10251/221694
dc.languageIngléses_ES
dc.publisherRoyal Society of Chemistryes_ES
dc.relation.ispartofEES Catalysises_ES
dc.relation.pasarelaS\550660es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/GVA//PROMETEO%2F2021%2F038/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/GVA//MFA%2F2022%2F023/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/MCIU//RTI2018-89237-CO2-R1/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI//CEX2021-001230-S/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/MICINN//PRE2022-103133/es_ES
dc.relation.publisherversionhttps://doi.org/10.1039/d5ey00004aes_ES
dc.rightsReconocimiento - No comercial (by-nc)es_ES
dc.rights.accessRightsAbiertoes_ES
dc.subjectNb2C MXenees_ES
dc.subjectNb2AlCes_ES
dc.subjectXRDes_ES
dc.subjectHRTEMes_ES
dc.subjectAFMes_ES
dc.subjectExfoliationes_ES
dc.subject2D morphologyes_ES
dc.titleNb2C Mxene as a bifunctional acid base and oxidation/hydrogenation catalystes_ES
dc.typeArtículoes_ES
dc.type.versioninfo:eu-repo/semantics/publishedVersiones_ES
dspace.entity.typePublicationes_ES
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person.identifier.orcid0000-0002-9664-493X
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